Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 4/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.34 |
| ▸ | INSR | P06213 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29627348 | 0.88 | PTGES (0.33) | CYP2A6ALDH1A1MEN1TP53KMT2A | |
| SCHEMBL29627319 | 0.84 | CYP11B2 (0.55) | CYP2A6ALDH1A1KDM4ECYP1A2SMN1; SMN2 | |
| SCHEMBL29627316 | 0.82 | PGR (0.38) | KDM4ECYP1A2CYP1A1CYP1B1 | |
| SCHEMBL29627292 | 0.81 | CYP2A6 (0.44) | CYP2A6ALDH1A1CYP1A2SMN1; SMN2HSD17B10 | |
| SCHEMBL29627371 | 0.81 | CYP2A6 (0.39) | CYP2A6ALDH1A1KDM4ETP53CYP1A2 | |
| SCHEMBL29627387 | 0.81 | CYP2A6 (0.39) | CYP2A6ALDH1A1KDM4ETP53CYP1A2 | |
| SCHEMBL29627275 | 0.81 | CYP2A6 (0.39) | CYP2A6ALDH1A1KDM4ETP53CYP1A2 | |
| SCHEMBL29627296 | 0.81 | TDP1 (0.40) | CYP2A6ALDH1A1KDM4EMEN1CYP1A2 | |
| SCHEMBL24153824 | 0.79 | ESR1 (0.40) | ALDH1A1KDM4EMEN1TP53CYP1A2 | |
| SCHEMBL17740724 | 0.79 | ESR1 (0.38) | CYP2A6ALDH1A1KDM4EMEN1TP53 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022131768-A1 | ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME | 솔루스첨단소재 주식회사 | 2022-06-23 | — | — | WO | disclosed |